Basic information
- Standard SMILES
CC(=O)C=Cc1ccc2sccc2c1- InChIKey
XAMWWKQYWAERTQ-UHFFFAOYSA-N- Molecular formula
- C12H10OS
- Average molar mass
- 202.27 g/mol
Names & identifiers
- Preferred name
- 1-(Benzo[b]thien-5-yl)but-1-en-3-one
- IUPAC
- 4-(1-benzothiophen-5-yl)but-3-en-2-one
Names & synonyms
SCHEMBL9798825XAMWWKQYWAERTQ-UHFFFAOYSA-N1-(benzo[b]thien-5-yl)but-1-en-3-one
Database identifiers
- PubChem CID
- 57318908
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
3 records
Compound notes
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